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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
4,8-Dimethyl-2-oxabicyclo[9.3.1]pentadeca-1(15),4,8,11,13-pentaen-12-ol
244.33
3.4
1
2
29.46
0
3-Methylfuran
82.10
1.4
0
1
13.14
0
Vulgaxanthin II
340.28
-0.5
5
10
173.59
8
3-Methoxytyramine-betaxanthin
360.40
1.4
4
8
128.45
7
2-Isopropyl-8-methylphenanthrene-3,4-dione
264.30
4.2
0
2
34.14
1
7,8-Dihydromonapterin
255.23
-3.3
6
7
156.85
3
2-Cyclopenten-1-one
82.10
0.5
0
1
17.07
0
Vitexin-4'-Rhamnoside(Rg)
578.50
-1.1
9
14
239.97
5
Ugonin M
436.50
3.4
4
7
124.27
2
Unii-V81K1mmx3X
343.50
3.6
1
3
32.7
0
9-alpha-D-Arabinofuranosyl-1,9-dihydro-6H-purin-6-one
268.23
-1.3
4
7
133.49
2
Arnebinone
302.40
4.2
0
4
52.6
4
4-[(E)-2-[(1-carboxy-3-methylsulfinyl-propyl)amino]vinyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
358.37
-0.9
4
10
172.57
8
1-Nitrosopyrrolidine
100.12
-0.2
0
3
32.67
0
p-Hydroxyphenylbutanone
164.20
1.7
1
2
37.3
3
Neotheaflavin
564.50
2.4
9
12
217.6
2
2,5-diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one
355.24
-4.7
9
11
247.08
8
Ugonin O
434.40
3.3
3
7
113.27
0
2-Eicosanone
296.50
9
0
1
17.07
17
(2S)-4-[(E)-2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]vinyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
374.30
1.2
5
9
156.52
7
Betanidin radical
386.30
1.8
3
10
173.62
3
Adenylyl-molybdopterin
724.60
-5.4
11
21
423.88
9
(2S,4E)-4-[2-[2-(3,4-dihydroxyphenyl)ethylimino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
346.30
1
5
8
139.45
6
CID 13592767
374.40
3
0
7
92.04
5
(-)-Epi-Neoclausenamide
297.30
1.5
2
3
60.77
3
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